SCHEMBL20141463

SCHEMBL20141463

C=Cc1cc(C(=O)N2CCN(c3ccc(F)cn3)C[C@@H]2C)c(CCCNC(=O)O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.46
CHRM4 P08173 3/20 0.45
GRM1 Q13255 1/20 0.44
CHRM2 P08172 4/20 0.39
CHRM3 P20309 2/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
HDAC1 Q13547 1/20 0.37
WNT3A P56704 4/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20157520 0.91 CHRM1 (0.42) CHRM1CHRM4GRM1CHRM2CHRM3
SCHEMBL20142114 0.91 CHRM1 (0.42) CHRM1CHRM4GRM1CHRM2CHRM3
SCHEMBL20140204 0.88 CHRM1 (0.48) CHRM1CHRM4GRM1CHRM2CHRM3
SCHEMBL20157522 0.84 CHRM1 (0.43) CHRM1CHRM4GRM1CHRM2CHRM3
SCHEMBL20140810 0.84 CHRM1 (0.43) CHRM1CHRM4GRM1CHRM2CHRM3
SCHEMBL20141104 0.80 CHRM1 (0.46) CHRM1CHRM4GRM1CHRM2CHRM3
SCHEMBL20157518 0.79 CHRM1 (0.44) CHRM1CHRM4GRM1CHRM2CHRM3
SCHEMBL20139933 0.79 CHRM1 (0.44) CHRM1CHRM4GRM1CHRM2CHRM3
SCHEMBL20139952 0.79 GRM1 (0.43) CHRM1CHRM4GRM1CHRM2
SCHEMBL20157096 0.77 GRM1 (0.53) CHRM1CHRM4GRM1PARP1PARP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed